(7-hydroxy-2-oxochromen-4-yl)methyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate
Formula:C26H24O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(7-hydroxy-2-oxochromen-4-yl)methyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate is a drug-like molecule.
| MolName | (7-hydroxy-2-oxochromen-4-yl)methyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate |
| MolecularFormula | C26H24O6S |
| Smiles | Oc(cc1)cc(O2)c1C(COC(c1c(CSC3CCCCC3)c(cccc3)c3o1)=O)=CC2=O |
| InChI | InChI=1S/C26H24O6S/c27-17-10-11-19-16(12-24(28)31-23(19)13-17)14-30-26(29)25-21(15-33-18-6-2-1-3-7-18)20-8-4-5-9-22(20)32-25/h4-5,8-13,18,27H,1-3,6-7,14-15H2 |
| InChIK | DBOGCKOTESWPDV-UHFFFAOYSA-N |
| TotalMolweight | 464.537 |
| Molweight | 464.537 |
| MonoisotopicMass | 464.12936 |
| CLogP | 4.8187 |
| CLogS | -6.475 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 343.18 |
| Relative PSA | 0.26453 |
| PolarSurfaceArea | 111.27 |
| Druglikeness | -5.2573 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51515 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (7-hydroxy-2-oxochromen-4-yl)methyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate | 2 - (7-hydroxy-2-oxochromen-4-yl)methyl 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off